CID 9994917

Chembl220412

Structural Information

Molecular Formula
C20H17N3
SMILES
CC(C1=CC=CC=C1)N2C=CC3=NC(=NC3=C2)C4=CC=CC=C4
InChI
InChI=1S/C20H17N3/c1-15(16-8-4-2-5-9-16)23-13-12-18-19(14-23)22-20(21-18)17-10-6-3-7-11-17/h2-15H,1H3
InChIKey
UTSTTYDZCQFSNK-UHFFFAOYSA-N
Compound name
2-phenyl-5-(1-phenylethyl)imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

299.14224 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14952 171.7
[M+Na]+ 322.13146 179.8
[M-H]- 298.13496 178.3
[M+NH4]+ 317.17606 184.7
[M+K]+ 338.10540 172.9
[M+H-H2O]+ 282.13950 160.5
[M+HCOO]- 344.14044 190.7
[M+CH3COO]- 358.15609 182.3
[M+Na-2H]- 320.11691 176.2
[M]+ 299.14169 171.2
[M]- 299.14279 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.